6-[4-(4-methylphenyl)carbothioylpiperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-[4-(4-methylphenyl)carbothioylpiperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[4-(4-methylbenzenecarbothioyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[4-[(4-methylphenyl)-sulfanylidenemethyl]-1-piperazinyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[4-(4-methylbenzenecarbothioyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-[4-(4-methylthiobenzoyl)piperazino]-3,4-dihydrocarbostyril Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)CC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)CC4

InChI

InChI=1S/C21H23N3OS/c1-15-2-4-16(5-3-15)21(26)24-12-10-23(11-13-24)18-7-8-19-17(14-18)6-9-20(25)22-19/h2-5,7-8,14H,6,9-13H2,1H3,(H,22,25)